CID 20294022

2-(6-oxo-1,6-dihydropyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=O)NC=C1CC(=O)O
InChI
InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-6)3-7(10)11/h1-2,4H,3H2,(H,8,9)(H,10,11)
InChIKey
XKPJULDZLXWTEJ-UHFFFAOYSA-N
Compound name
2-(6-oxo-1H-pyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

153.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.9
[M+Na]+ 176.03181 140.7
[M+NH4]+ 171.07641 135.5
[M+K]+ 192.00575 136.3
[M-H]- 152.03531 128.3
[M+Na-2H]- 174.01726 134.3
[M]+ 153.04204 130.1
[M]- 153.04314 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe